smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCCC1 | 0 |
CN1CCC2(CC1)C(=O)N(N1CCCCCC1)C(=O)N2c1ccccc1 | 0 |
CN1CCC2(CC1)C(=O)N(NC(N)=O)C(=O)C2c1ccccc1 | 0 |
CC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CC1 | 0 |
CCCC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCCC1 | 0 |
CCCC#CC(O)(C(=O)OC1CCN(C)CC1)C1CCCCC1 | 0 |
CCCC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1 | 0 |
CCOC(=O)N1CCC2(CC1)CC(=O)N(Nc1ccccc1)C2=O | 0 |
CC(C)C=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1 | 0 |
OC1(c2ccccc2)CC2CCC(C1)N2CCc1ccccc1 | 0 |
C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1 | 0 |
CC#CC(O)(C(=O)OC1CN2CCC1CC2)C(C)C | 0 |
CC#CC(O)(C(=O)OC1CCN(C)CC1)C(C)C | 0 |
CC=CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCC1 | 0 |
OC1(c2ccccc2)CC2CCC(C1)N2CCCC(O)(c1ccccc1)c1ccccc1 | 0 |
CCCCC=CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1 | 0 |
CC#CC(O)(C(=O)OC1CC2CCC(C1)N2C)C1CCCC1 | 0 |
CC#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCC1 | 0 |
CC#CC(O)(C(=O)OCCCN(C)C)C1CCCCC1 | 0 |
CCC#CC(O)(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1 | 0 |
CCC#CC(O)(C(=O)OC1C2CCN(CC2)C1C)c1ccccc1 | 0 |
CCC(C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl | 0 |
Cl.N#CC(=C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1 | 0 |
O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCCCCC1)C2=O)c1ccc(F)cc1 | 0 |
OC1(c2ccccc2)CC2CCC(C1)N2CCCC1(c2ccc(F)cc2)OCCO1 | 0 |
C=CCN1CCC(OC(=O)C(O)(C=CCC)C2CCCC2)CC1 | 0 |
O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCCCCC1)C2=O)c1ccccc1 | 0 |
C=CCN1CCC(OC(=O)C(O)(C#CC)C2CCCC2)CC1 | 0 |
Cl.O=C1CC2(CCN(CC3COc4ccccc4O3)CC2)C(=O)N1N1CCCCCC1 | 0 |
CCC1C(OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 | 0 |
CC(C)C#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCCC1 | 0 |
CC1(C)OC(=O)CC12CCN(Cc1ccccc1)CC2 | 0 |
CN1C(=O)N(C)C2(CCN(CC(CC3OCCO3)c3ccc(F)cc3)CC2)C1=O | 0 |
O=C(OC1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 | 0 |
CC#CC(O)(C#CC)C(=O)OC1CN2CCC1CC2 | 0 |
CP1CCC(O)(c2ccccc2)CC1 | 0 |
CN1CN(c2ccccc2)C2(CCN(Cc3nc4ccccc4s3)CC2)C1=O | 0 |
CC1N(C)C(=O)OC12CCN(CCCC(=O)c1ccc(F)cc1)CC2.Cl | 0 |
CCN1CN(c2ccccc2)C2(CCN(CC3COc4ccccc4O3)CC2)C1=O | 0 |
CCN1CN(c2ccccc2)C2(CCN(CC(CC3OCCO3)c3ccc(F)cc3)CC2)C1=O.Cl | 0 |
CN1CN(c2ccccc2)C2(CCN(C3Nc4ccccc4O3)CC2)C1=O | 0 |
CN1CN(c2ccccc2)C2(CCN(CCCN(C)c3ccc(F)cc3)CC2)C1=O.Cl | 0 |
O=C1CC2(CCN(Cc3ccccc3)CC2)C(=O)N1N1CCCCC1 | 0 |
CN(C)N1C(=O)CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O | 0 |
O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCOCC1)C2=O)c1ccc(F)cc1 | 0 |
CCOC(=O)C(CCN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)C(=O)OCC | 0 |
O=C1CC2(CCNCC2)C(=O)N1N1CCCCC1 | 0 |
O=C1CC2(CCNCC2)C(=O)N1N1CCOCC1 | 0 |
COc1cc2c(cc1OC)C1c3ccccc3CCN1CCC2.[O-][Cl+3]([O-])([O-])O | 0 |
COc1ccc2c(c1)CCCN1CCc3cc(OC)c(OC)cc3C21 | 0 |
C[N+](C)(C)CCOP(=O)([O-])OCCNC(=O)c1ccc2ccccc2c1 | 0 |
O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCOCC1)C2=O)c1ccccc1 | 0 |
C=C(C)C(O)(C(=O)OC1C2CCN(CC2)C1C)c1ccccc1 | 0 |
C=C(C)C#CC(O)(C(=O)OC1C2CCN(CC2)C1C)c1ccccc1 | 0 |
C=C(C)C#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCCC1 | 0 |
CCN1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl | 0 |
CN1CN(c2ccccc2)C2(CCN(CCCCCCF)CC2)C1=O.Cl | 0 |
CN1C(=O)N(C)C2(CCN(CCCCCCF)CC2)C1=O | 0 |
C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)C(C)C | 0 |
C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)C(C)C | 0 |
CC#CC(O)(C(=O)OC1CC(C)N(C)C(C)(C)C1)C1CCCC1 | 0 |
CCC(C)N1CN(c2ccccc2)C2(CCN(CC3COc4ccccc4O3)CC2)C1=O.Cl | 0 |
CCC(C)N1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl | 0 |
CCC(C)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.Cl | 0 |
O=C1CC2(CCNCC2)C(=O)N1N1CCCC1 | 0 |
COC(=O)C1(OC(=O)Sc2ccccc2)CCN(C)CC1 | 0 |
CCOC(CCCN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)(OCC)c1ccc(F)cc1 | 0 |
C=CCN1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O | 0 |
O=C(OC1CN2CCC1CC2)C(O)(C1=CCCC1)c1ccccc1 | 0 |
CN1C(CC(O)c2ccccc2)CCCC1CC(O)(c1ccccc1)c1ccccc1.Cl | 0 |
Cl.NC1CC=C(COC(=O)C(O)(c2ccccc2)C2CC2)CC1 | 0 |
CN1CN(c2ccccc2)C2(CCN(CCCSc3ccccc3NC(=O)C=Cc3ccccc3)CC2)C1=O.Cl | 0 |
CCN(CC)C(=O)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.Cl | 0 |
CC#CC(O)(C(=O)OC1CCC2CCC1N2C)C1CCCC1 | 0 |
CCN(CC)C(=O)N1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl | 0 |
CN1CCC(OC(=O)C(O)(c2ccccc2)c2ccns2)CC1 | 0 |
CNC(=O)N1CN(c2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O | 0 |
CN1CCC(OC(=O)C2(O)c3ccccc3Oc3ccccc32)CC1 | 0 |
C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)c1cccs1 | 0 |
C=C(C)C(O)(C(=O)OC1CN2CCC1CC2)c1cccs1 | 0 |
CNC(=O)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl | 0 |
CN1CN(c2ccccc2)C2(CCN(CCCC3(c4cccs4)OCCO3)CC2)C1=O.O=C(O)C=CC(=O)O | 0 |
CNC(=O)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.O=C(O)C=CC(=O)O | 0 |
C[N+]1(C)CN(c2ccccc2)C2(CCN(CCCC(=O)c3cccs3)CC2)C1=O.O=C([O-])C=CC(=O)O | 0 |
CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3cccs3)CC2)C1=O | 0 |
CC(C)C(O)(C(=O)OC=C1CC2CCN1CC2)c1ccccc1.Cl | 0 |
CC(C)C(O)(C(=O)OCC1=CC2CCN1CC2)c1ccccc1.Cl | 0 |
CC#CC(O)(C(=O)OC1CCN(C)CC1)c1ccccn1 | 0 |
Cl.O=C(OCCC1=C2CCN(CC2)C1)C(O)(c1ccccc1)C1CCCC1 | 0 |
CC#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1=CCCC1 | 0 |
CNC(=O)ON=C1N(C)CN(c2ccccc2)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2.Cl | 0 |
NC(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1S | 0 |
CCCCCCC(N)(CCCCCC)C(=O)Nn1c(C)ccc1C | 0 |
COc1ccc2[nH]cc(CN3CCC(CO)(c4ccccc4)CC3)c2c1 | 0 |
CN(C)c1ccc(C2NCCc3c2[nH]c2ccccc32)cc1 | 0 |
CC[N+](C)(CC)CCC(O)(c1ccccc1)c1ccccc1.[Cl-] | 0 |
NC(=O)CNC(=O)C1CC(O)CN1C(=O)OCc1ccccc1 | 0 |
NC(=O)CNC(=O)C1CC(O)CN1C(=O)C1CCCN1C(=O)OCc1ccccc1 | 0 |
NC(=O)CNC(=O)C1CC(OCCC(=O)O)CN1C(=O)OCc1ccccc1 | 0 |
NC(=O)CNC(=O)C1CC(OCCC(=O)O)CN1C(=O)C1CCCN1C(=O)OCc1ccccc1 | 0 |
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